- InChI
- InChI=1S/C12H18/c1-3-11(4-2)10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
- InChI Key
- XLXKNHSGAGUAKZ-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCC(CC)Cc1ccccc1
- Molecular Weight1
- 162.28
- Other Names
-
- (2-Ethylbutyl)benzene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4098 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6778.00 | kJ/mol | NIST |
| ΔfG° | 160.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -50.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.665 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Tboil | [489.81; 489.81] | K |
|
| Tboil | 489.81 ± 0.30 | K | NIST |
| Tboil | 489.81 ± 0.30 | K | NIST |
| Tc | 688.77 | K | Relay (1.0) Calculated Property |
| Tfus | 200.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.561 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.75; 436.19] | J/mol×K | [500.40; 704.20] |
|
| Cp,gas | 345.75 | J/mol×K | 500.40 | Joback Calculated Property |
| Cp,gas | 363.08 | J/mol×K | 534.37 | Joback Calculated Property |
| Cp,gas | 379.45 | J/mol×K | 568.33 | Joback Calculated Property |
| Cp,gas | 394.92 | J/mol×K | 602.30 | Joback Calculated Property |
| Cp,gas | 409.50 | J/mol×K | 636.27 | Joback Calculated Property |
| Cp,gas | 423.25 | J/mol×K | 670.23 | Joback Calculated Property |
| Cp,gas | 436.19 | J/mol×K | 704.20 | Joback Calculated Property |
| η | [0.0001959; 0.0057131] | Pa×s | [236.42; 500.40] |
|
| η | 0.0057131 | Pa×s | 236.42 | Joback Calculated Property |
| η | 0.0020951 | Pa×s | 280.42 | Joback Calculated Property |
| η | 0.0010086 | Pa×s | 324.41 | Joback Calculated Property |
| η | 0.0005782 | Pa×s | 368.41 | Joback Calculated Property |
| η | 0.0003732 | Pa×s | 412.41 | Joback Calculated Property |
| η | 0.0002621 | Pa×s | 456.40 | Joback Calculated Property |
| η | 0.0001959 | Pa×s | 500.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-ethylbutyl)-.
Sources
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